################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 35037 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 35037 1 2 '2D 1H-1H TOCSY' . . . 35037 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 HIS H H 1 8.279 0.003 . 1 . . . . A 1 HIS H . 35037 1 2 . 1 . 1 1 1 HIS HA H 1 4.181 0.002 . 1 . . . . A 1 HIS HA . 35037 1 3 . 1 . 1 1 1 HIS HB2 H 1 3.221 0.003 . 2 . . . . A 1 HIS HB2 . 35037 1 4 . 1 . 1 1 1 HIS HB3 H 1 3.221 0.003 . 2 . . . . A 1 HIS HB3 . 35037 1 5 . 1 . 1 2 2 SER H H 1 8.705 0.001 . 1 . . . . A 2 SER H . 35037 1 6 . 1 . 1 2 2 SER HA H 1 4.400 0.001 . 1 . . . . A 2 SER HA . 35037 1 7 . 1 . 1 2 2 SER HB2 H 1 3.686 0.007 . . . . . . A 2 SER HB2 . 35037 1 8 . 1 . 1 2 2 SER HB3 H 1 3.642 0.004 . . . . . . A 2 SER HB3 . 35037 1 9 . 1 . 1 3 3 GLN H H 1 8.510 0.001 . 1 . . . . A 3 GLN H . 35037 1 10 . 1 . 1 3 3 GLN HA H 1 4.314 0.004 . 1 . . . . A 3 GLN HA . 35037 1 11 . 1 . 1 3 3 GLN HB2 H 1 1.925 0.014 . . . . . . A 3 GLN HB2 . 35037 1 12 . 1 . 1 3 3 GLN HB3 H 1 1.805 0.010 . . . . . . A 3 GLN HB3 . 35037 1 13 . 1 . 1 3 3 GLN HG2 H 1 2.160 0.008 . 2 . . . . A 3 GLN HG2 . 35037 1 14 . 1 . 1 3 3 GLN HG3 H 1 2.160 0.008 . 2 . . . . A 3 GLN HG3 . 35037 1 15 . 1 . 1 4 4 GLY H H 1 8.157 0.006 . 1 . . . . A 4 GLY H . 35037 1 16 . 1 . 1 4 4 GLY HA2 H 1 3.812 0.003 . . . . . . A 4 GLY HA2 . 35037 1 17 . 1 . 1 4 4 GLY HA3 H 1 3.737 0.007 . . . . . . A 4 GLY HA3 . 35037 1 18 . 1 . 1 5 5 THR H H 1 7.770 0.005 . 1 . . . . A 5 THR H . 35037 1 19 . 1 . 1 5 5 THR HA H 1 4.225 0.002 . 1 . . . . A 5 THR HA . 35037 1 20 . 1 . 1 5 5 THR HB H 1 3.910 0.002 . 1 . . . . A 5 THR HB . 35037 1 21 . 1 . 1 5 5 THR HG21 H 1 0.973 0.008 . 1 . . . . A 5 THR HG21 . 35037 1 22 . 1 . 1 5 5 THR HG22 H 1 0.973 0.008 . 1 . . . . A 5 THR HG22 . 35037 1 23 . 1 . 1 5 5 THR HG23 H 1 0.973 0.008 . 1 . . . . A 5 THR HG23 . 35037 1 24 . 1 . 1 6 6 PHE H H 1 8.058 0.023 . 1 . . . . A 6 PHE H . 35037 1 25 . 1 . 1 6 6 PHE HA H 1 4.628 0.005 . 1 . . . . A 6 PHE HA . 35037 1 26 . 1 . 1 6 6 PHE HB2 H 1 3.075 0.006 . . . . . . A 6 PHE HB2 . 35037 1 27 . 1 . 1 6 6 PHE HB3 H 1 2.827 0.007 . . . . . . A 6 PHE HB3 . 35037 1 28 . 1 . 1 7 7 THR H H 1 7.998 0.013 . 1 . . . . A 7 THR H . 35037 1 29 . 1 . 1 7 7 THR HA H 1 4.293 0.004 . 1 . . . . A 7 THR HA . 35037 1 30 . 1 . 1 7 7 THR HB H 1 3.951 0.007 . 1 . . . . A 7 THR HB . 35037 1 31 . 1 . 1 7 7 THR HG21 H 1 1.036 0.004 . 1 . . . . A 7 THR HG21 . 35037 1 32 . 1 . 1 7 7 THR HG22 H 1 1.036 0.004 . 1 . . . . A 7 THR HG22 . 35037 1 33 . 1 . 1 7 7 THR HG23 H 1 1.036 0.004 . 1 . . . . A 7 THR HG23 . 35037 1 34 . 1 . 1 8 8 SER H H 1 7.903 0.005 . 1 . . . . A 8 SER H . 35037 1 35 . 1 . 1 8 8 SER HA H 1 4.376 0.004 . 1 . . . . A 8 SER HA . 35037 1 36 . 1 . 1 8 8 SER HB2 H 1 3.683 0.006 . . . . . . A 8 SER HB2 . 35037 1 37 . 1 . 1 8 8 SER HB3 H 1 3.590 0.001 . . . . . . A 8 SER HB3 . 35037 1 38 . 1 . 1 9 9 ASP H H 1 8.336 0.001 . 1 . . . . A 9 ASP H . 35037 1 39 . 1 . 1 9 9 ASP HA H 1 4.520 0.010 . 1 . . . . A 9 ASP HA . 35037 1 40 . 1 . 1 9 9 ASP HB2 H 1 2.627 0.011 . . . . . . A 9 ASP HB2 . 35037 1 41 . 1 . 1 9 9 ASP HB3 H 1 2.417 0.008 . . . . . . A 9 ASP HB3 . 35037 1 42 . 1 . 1 10 10 TYR H H 1 7.799 0.016 . 1 . . . . A 10 TYR H . 35037 1 43 . 1 . 1 10 10 TYR HA H 1 4.408 0.013 . 1 . . . . A 10 TYR HA . 35037 1 44 . 1 . 1 10 10 TYR HB2 H 1 2.891 0.013 . . . . . . A 10 TYR HB2 . 35037 1 45 . 1 . 1 10 10 TYR HB3 H 1 2.646 0.007 . . . . . . A 10 TYR HB3 . 35037 1 46 . 1 . 1 11 11 SER H H 1 7.989 0.010 . 1 . . . . A 11 SER H . 35037 1 47 . 1 . 1 11 11 SER HA H 1 4.243 0.006 . 1 . . . . A 11 SER HA . 35037 1 48 . 1 . 1 11 11 SER HB2 H 1 3.634 0.000 . . . . . . A 11 SER HB2 . 35037 1 49 . 1 . 1 11 11 SER HB3 H 1 3.571 0.000 . . . . . . A 11 SER HB3 . 35037 1 50 . 1 . 1 12 12 LYS H H 1 8.019 0.008 . 1 . . . . A 12 LYS H . 35037 1 51 . 1 . 1 12 12 LYS HA H 1 4.223 0.031 . 1 . . . . A 12 LYS HA . 35037 1 52 . 1 . 1 12 12 LYS HB2 H 1 1.487 0.002 . 2 . . . . A 12 LYS HB2 . 35037 1 53 . 1 . 1 12 12 LYS HB3 H 1 1.487 0.002 . 2 . . . . A 12 LYS HB3 . 35037 1 54 . 1 . 1 12 12 LYS HG2 H 1 1.484 0.002 . 2 . . . . A 12 LYS HG2 . 35037 1 55 . 1 . 1 12 12 LYS HG3 H 1 1.484 0.002 . 2 . . . . A 12 LYS HG3 . 35037 1 56 . 1 . 1 12 12 LYS HD2 H 1 1.211 0.000 . 2 . . . . A 12 LYS HD2 . 35037 1 57 . 1 . 1 12 12 LYS HD3 H 1 1.211 0.000 . 2 . . . . A 12 LYS HD3 . 35037 1 58 . 1 . 1 13 13 TYR H H 1 7.819 0.009 . 1 . . . . A 13 TYR H . 35037 1 59 . 1 . 1 13 13 TYR HA H 1 4.353 0.016 . 1 . . . . A 13 TYR HA . 35037 1 60 . 1 . 1 13 13 TYR HB2 H 1 2.925 0.006 . . . . . . A 13 TYR HB2 . 35037 1 61 . 1 . 1 13 13 TYR HB3 H 1 2.643 0.004 . . . . . . A 13 TYR HB3 . 35037 1 62 . 1 . 1 14 14 LEU H H 1 7.936 0.028 . 1 . . . . A 14 LEU H . 35037 1 63 . 1 . 1 14 14 LEU HA H 1 4.284 0.007 . 1 . . . . A 14 LEU HA . 35037 1 64 . 1 . 1 14 14 LEU HB2 H 1 1.451 0.008 . 2 . . . . A 14 LEU HB2 . 35037 1 65 . 1 . 1 14 14 LEU HB3 H 1 1.451 0.008 . 2 . . . . A 14 LEU HB3 . 35037 1 66 . 1 . 1 14 14 LEU HG H 1 1.550 0.002 . 1 . . . . A 14 LEU HG . 35037 1 67 . 1 . 1 14 14 LEU HD11 H 1 0.860 0.001 . . . . . . A 14 LEU HD11 . 35037 1 68 . 1 . 1 14 14 LEU HD12 H 1 0.860 0.001 . . . . . . A 14 LEU HD12 . 35037 1 69 . 1 . 1 14 14 LEU HD13 H 1 0.860 0.001 . . . . . . A 14 LEU HD13 . 35037 1 70 . 1 . 1 14 14 LEU HD21 H 1 0.812 0.003 . . . . . . A 14 LEU HD21 . 35037 1 71 . 1 . 1 14 14 LEU HD22 H 1 0.812 0.003 . . . . . . A 14 LEU HD22 . 35037 1 72 . 1 . 1 14 14 LEU HD23 H 1 0.812 0.003 . . . . . . A 14 LEU HD23 . 35037 1 73 . 1 . 1 15 15 ASP H H 1 8.158 0.008 . 1 . . . . A 15 ASP H . 35037 1 74 . 1 . 1 15 15 ASP HA H 1 4.568 0.002 . 1 . . . . A 15 ASP HA . 35037 1 75 . 1 . 1 15 15 ASP HB2 H 1 2.717 0.009 . . . . . . A 15 ASP HB2 . 35037 1 76 . 1 . 1 15 15 ASP HB3 H 1 2.535 0.012 . . . . . . A 15 ASP HB3 . 35037 1 77 . 1 . 1 16 16 SER H H 1 7.711 0.001 . 1 . . . . A 16 SER H . 35037 1 78 . 1 . 1 16 16 SER HA H 1 4.274 0.002 . 1 . . . . A 16 SER HA . 35037 1 79 . 1 . 1 16 16 SER HB2 H 1 3.608 0.000 . . . . . . A 16 SER HB2 . 35037 1 80 . 1 . 1 16 16 SER HB3 H 1 3.521 0.000 . . . . . . A 16 SER HB3 . 35037 1 81 . 1 . 1 17 17 ARG H H 1 8.058 0.014 . 1 . . . . A 17 ARG H . 35037 1 82 . 1 . 1 17 17 ARG HA H 1 4.247 0.009 . 1 . . . . A 17 ARG HA . 35037 1 83 . 1 . 1 17 17 ARG HB2 H 1 1.712 0.014 . 2 . . . . A 17 ARG HB2 . 35037 1 84 . 1 . 1 17 17 ARG HB3 H 1 1.712 0.014 . 2 . . . . A 17 ARG HB3 . 35037 1 85 . 1 . 1 17 17 ARG HG2 H 1 1.513 0.001 . 2 . . . . A 17 ARG HG2 . 35037 1 86 . 1 . 1 17 17 ARG HG3 H 1 1.513 0.001 . 2 . . . . A 17 ARG HG3 . 35037 1 87 . 1 . 1 18 18 ARG H H 1 8.010 0.015 . 1 . . . . A 18 ARG H . 35037 1 88 . 1 . 1 18 18 ARG HA H 1 4.242 0.005 . 1 . . . . A 18 ARG HA . 35037 1 89 . 1 . 1 18 18 ARG HB2 H 1 1.705 0.004 . 2 . . . . A 18 ARG HB2 . 35037 1 90 . 1 . 1 18 18 ARG HB3 H 1 1.705 0.004 . 2 . . . . A 18 ARG HB3 . 35037 1 91 . 1 . 1 18 18 ARG HG2 H 1 1.490 0.007 . 2 . . . . A 18 ARG HG2 . 35037 1 92 . 1 . 1 18 18 ARG HG3 H 1 1.490 0.007 . 2 . . . . A 18 ARG HG3 . 35037 1 93 . 1 . 1 19 19 ALA H H 1 8.010 0.012 . 1 . . . . A 19 ALA H . 35037 1 94 . 1 . 1 19 19 ALA HA H 1 4.235 0.018 . 1 . . . . A 19 ALA HA . 35037 1 95 . 1 . 1 19 19 ALA HB1 H 1 1.209 0.000 . 1 . . . . A 19 ALA HB1 . 35037 1 96 . 1 . 1 19 19 ALA HB2 H 1 1.209 0.000 . 1 . . . . A 19 ALA HB2 . 35037 1 97 . 1 . 1 19 19 ALA HB3 H 1 1.209 0.000 . 1 . . . . A 19 ALA HB3 . 35037 1 98 . 1 . 1 20 20 GLN H H 1 7.934 0.026 . 1 . . . . A 20 GLN H . 35037 1 99 . 1 . 1 20 20 GLN HA H 1 4.186 0.006 . 1 . . . . A 20 GLN HA . 35037 1 100 . 1 . 1 20 20 GLN HB2 H 1 1.836 0.002 . . . . . . A 20 GLN HB2 . 35037 1 101 . 1 . 1 20 20 GLN HB3 H 1 1.707 0.003 . . . . . . A 20 GLN HB3 . 35037 1 102 . 1 . 1 20 20 GLN HG2 H 1 2.077 0.001 . 2 . . . . A 20 GLN HG2 . 35037 1 103 . 1 . 1 20 20 GLN HG3 H 1 2.077 0.001 . 2 . . . . A 20 GLN HG3 . 35037 1 104 . 1 . 1 21 21 ASP H H 1 8.119 0.004 . 1 . . . . A 21 ASP H . 35037 1 105 . 1 . 1 21 21 ASP HA H 1 4.514 0.020 . 1 . . . . A 21 ASP HA . 35037 1 106 . 1 . 1 21 21 ASP HB2 H 1 2.634 0.008 . . . . . . A 21 ASP HB2 . 35037 1 107 . 1 . 1 21 21 ASP HB3 H 1 2.446 0.004 . . . . . . A 21 ASP HB3 . 35037 1 108 . 1 . 1 22 22 PHE H H 1 7.854 0.007 . 1 . . . . A 22 PHE H . 35037 1 109 . 1 . 1 22 22 PHE HA H 1 4.548 0.000 . 1 . . . . A 22 PHE HA . 35037 1 110 . 1 . 1 22 22 PHE HB2 H 1 2.999 0.008 . . . . . . A 22 PHE HB2 . 35037 1 111 . 1 . 1 22 22 PHE HB3 H 1 2.814 0.005 . . . . . . A 22 PHE HB3 . 35037 1 112 . 1 . 1 23 23 VAL H H 1 7.922 0.010 . 1 . . . . A 23 VAL H . 35037 1 113 . 1 . 1 23 23 VAL HA H 1 4.073 0.009 . 1 . . . . A 23 VAL HA . 35037 1 114 . 1 . 1 23 23 VAL HB H 1 1.911 0.003 . 1 . . . . A 23 VAL HB . 35037 1 115 . 1 . 1 23 23 VAL HG11 H 1 0.779 0.003 . 2 . . . . A 23 VAL HG11 . 35037 1 116 . 1 . 1 23 23 VAL HG12 H 1 0.779 0.003 . 2 . . . . A 23 VAL HG12 . 35037 1 117 . 1 . 1 23 23 VAL HG13 H 1 0.779 0.003 . 2 . . . . A 23 VAL HG13 . 35037 1 118 . 1 . 1 23 23 VAL HG21 H 1 0.779 0.003 . 2 . . . . A 23 VAL HG21 . 35037 1 119 . 1 . 1 23 23 VAL HG22 H 1 0.779 0.003 . 2 . . . . A 23 VAL HG22 . 35037 1 120 . 1 . 1 23 23 VAL HG23 H 1 0.779 0.003 . 2 . . . . A 23 VAL HG23 . 35037 1 121 . 1 . 1 24 24 GLN H H 1 8.031 0.006 . 1 . . . . A 24 GLN H . 35037 1 122 . 1 . 1 24 24 GLN HA H 1 4.219 0.007 . 1 . . . . A 24 GLN HA . 35037 1 123 . 1 . 1 24 24 GLN HB2 H 1 1.840 0.006 . . . . . . A 24 GLN HB2 . 35037 1 124 . 1 . 1 24 24 GLN HB3 H 1 1.730 0.007 . . . . . . A 24 GLN HB3 . 35037 1 125 . 1 . 1 24 24 GLN HG2 H 1 2.087 0.001 . 2 . . . . A 24 GLN HG2 . 35037 1 126 . 1 . 1 24 24 GLN HG3 H 1 2.087 0.001 . 2 . . . . A 24 GLN HG3 . 35037 1 127 . 1 . 1 25 25 TRP H H 1 8.021 0.009 . 1 . . . . A 25 TRP H . 35037 1 128 . 1 . 1 25 25 TRP HA H 1 4.534 0.006 . 1 . . . . A 25 TRP HA . 35037 1 129 . 1 . 1 25 25 TRP HB2 H 1 3.105 0.006 . . . . . . A 25 TRP HB2 . 35037 1 130 . 1 . 1 25 25 TRP HB3 H 1 2.940 0.004 . . . . . . A 25 TRP HB3 . 35037 1 131 . 1 . 1 26 26 LEU H H 1 8.025 0.011 . 1 . . . . A 26 LEU H . 35037 1 132 . 1 . 1 26 26 LEU HA H 1 4.237 0.006 . 1 . . . . A 26 LEU HA . 35037 1 133 . 1 . 1 26 26 LEU HB2 H 1 1.446 0.011 . 2 . . . . A 26 LEU HB2 . 35037 1 134 . 1 . 1 26 26 LEU HB3 H 1 1.446 0.011 . 2 . . . . A 26 LEU HB3 . 35037 1 135 . 1 . 1 26 26 LEU HG H 1 1.554 0.008 . 1 . . . . A 26 LEU HG . 35037 1 136 . 1 . 1 26 26 LEU HD11 H 1 0.847 0.017 . . . . . . A 26 LEU HD11 . 35037 1 137 . 1 . 1 26 26 LEU HD12 H 1 0.847 0.017 . . . . . . A 26 LEU HD12 . 35037 1 138 . 1 . 1 26 26 LEU HD13 H 1 0.847 0.017 . . . . . . A 26 LEU HD13 . 35037 1 139 . 1 . 1 26 26 LEU HD21 H 1 0.806 0.012 . . . . . . A 26 LEU HD21 . 35037 1 140 . 1 . 1 26 26 LEU HD22 H 1 0.806 0.012 . . . . . . A 26 LEU HD22 . 35037 1 141 . 1 . 1 26 26 LEU HD23 H 1 0.806 0.012 . . . . . . A 26 LEU HD23 . 35037 1 142 . 1 . 1 27 27 MET H H 1 7.999 0.013 . 1 . . . . A 27 MET H . 35037 1 143 . 1 . 1 27 27 MET HA H 1 4.328 0.005 . 1 . . . . A 27 MET HA . 35037 1 144 . 1 . 1 27 27 MET HB2 H 1 1.926 0.011 . . . . . . A 27 MET HB2 . 35037 1 145 . 1 . 1 27 27 MET HB3 H 1 1.799 0.007 . . . . . . A 27 MET HB3 . 35037 1 146 . 1 . 1 27 27 MET HG2 H 1 2.470 0.005 . . . . . . A 27 MET HG2 . 35037 1 147 . 1 . 1 27 27 MET HG3 H 1 2.417 0.007 . . . . . . A 27 MET HG3 . 35037 1 148 . 1 . 1 28 28 ASN H H 1 8.177 0.002 . 1 . . . . A 28 ASN H . 35037 1 149 . 1 . 1 28 28 ASN HA H 1 4.635 0.007 . 1 . . . . A 28 ASN HA . 35037 1 150 . 1 . 1 28 28 ASN HB2 H 1 2.577 0.006 . . . . . . A 28 ASN HB2 . 35037 1 151 . 1 . 1 28 28 ASN HB3 H 1 2.421 0.003 . . . . . . A 28 ASN HB3 . 35037 1 152 . 1 . 1 29 29 THR H H 1 7.549 0.006 . 1 . . . . A 29 THR H . 35037 1 153 . 1 . 1 29 29 THR HA H 1 4.164 0.005 . 1 . . . . A 29 THR HA . 35037 1 154 . 1 . 1 29 29 THR HB H 1 4.120 0.012 . 1 . . . . A 29 THR HB . 35037 1 155 . 1 . 1 29 29 THR HG21 H 1 1.027 0.003 . 1 . . . . A 29 THR HG21 . 35037 1 156 . 1 . 1 29 29 THR HG22 H 1 1.027 0.003 . 1 . . . . A 29 THR HG22 . 35037 1 157 . 1 . 1 29 29 THR HG23 H 1 1.027 0.003 . 1 . . . . A 29 THR HG23 . 35037 1 stop_ save_